5-Amino-2-nitrobenzoic acid - CAS 13280-60-9
Catalog: |
BB043125 |
Product Name: |
5-Amino-2-nitrobenzoic acid |
CAS: |
13280-60-9 |
Synonyms: |
Benzoic acid, 5-amino-2-nitro-; 3-Carboxy-4-nitroaniline; 2-Nitro-5-aminobenzoic Acid; NSC 74455 |
IUPAC Name: | 5-amino-2-nitrobenzoic acid |
Molecular Weight: | 182.13 |
Molecular Formula: | C7H6N2O4 |
Canonical SMILES: | C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11) |
InChI Key: | KZZWQCKYLNIOBT-UHFFFAOYSA-N |
Boiling Point: | 481.3±35.0°C at 760 mmHg |
Melting Point: | 236-238°C |
Purity: | ≥95% |
Density: | 1.568±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Yellow Brown Solid |
Storage: | Store at -20°C |
GHS Hazard Statement: | H272 (20%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]; H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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